2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C20H23Cl2NOS — CID 132660242

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C20H23Cl2NOS/c1-4-19(15-9-8-13(2)10-14(15)3)23-20(24)12-25-11-16-17(21)6-5-7-18(16)22/h5-10,19H,4,11-12H2,1-3H3,(H,23,24)
InChIKeySFGSUWOYYSDDEH-UHFFFAOYSA-N
MW396.38 g/mol
LogP6.11
Rot. Bonds7

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 132660242) has the molecular formula C20H23Cl2NOS and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID132660242
Molecular FormulaC20H23Cl2NOS
Molecular Weight396.38 g/mol
Exact Mass395.09
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C20H23Cl2NOS/c1-4-19(15-9-8-13(2)10-14(15)3)23-20(24)12-25-11-16-17(21)6-5-7-18(16)22/h5-10,19H,4,11-12H2,1-3H3,(H,23,24)
InChIKeySFGSUWOYYSDDEH-UHFFFAOYSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.38
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28567054
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28632916
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186173
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99950892

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 132660242) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is SFGSUWOYYSDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NOS/c1-4-19(15-9-8-13(2)10-14(15)3)23-20(24)12-25-11-16-17(21)6-5-7-18(16)22/h5-10,19H,4,11-12H2,1-3H3,(H,23,24).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 396.38 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 132660242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).